2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol

C10H13F3N2O — CID 60890972

IUPAC2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(N)c1)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-15(6-10(11,12)13)5-7-2-3-9(16)8(14)4-7/h2-4,16H,5-6,14H2,1H3
InChIKeyWHRHWHARHGLWPZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol

2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol (PubChem CID 60890972) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
PubChem CID60890972
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(N)c1)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-15(6-10(11,12)13)5-7-2-3-9(16)8(14)4-7/h2-4,16H,5-6,14H2,1H3
InChIKeyWHRHWHARHGLWPZ-UHFFFAOYSA-N
XLogP1.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 43376088
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2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
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3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 60891189
N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride
CID 67046261
2-amino-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenol
CID 55259988
2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
2-amino-4-[(dibenzylamino)methyl]phenol
CID 130157268
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The IUPAC name of 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol (CID 60890972) is 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The canonical SMILES for 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol is CN(Cc1ccc(O)c(N)c1)CC(F)(F)F.
What is the InChIKey of 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The InChIKey is WHRHWHARHGLWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-15(6-10(11,12)13)5-7-2-3-9(16)8(14)4-7/h2-4,16H,5-6,14H2,1H3.
What are the key properties of 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol has a molecular weight of 234.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol is sourced from PubChem (CID 60890972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).